2-N,4-N-ditert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

C12H23N5S — CID 15925951

IUPAC2-N,4-N-ditert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(NC(C)(C)C)nc(NC(C)(C)C)n1
InChIInChI=1S/C12H23N5S/c1-11(2,3)16-8-13-9(17-12(4,5)6)15-10(14-8)18-7/h1-7H3,(H2,13,14,15,16,17)
InChIKeyVONUTDHPPXOPTC-UHFFFAOYSA-N
MW269.42 g/mol
LogP3.01
Rot. Bonds3

About 2-N,4-N-ditert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

2-N,4-N-ditert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 15925951) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is 2-N,4-N-ditert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-ditert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID15925951
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC Name2-N,4-N-ditert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCSc1nc(NC(C)(C)C)nc(NC(C)(C)C)n1
InChIInChI=1S/C12H23N5S/c1-11(2,3)16-8-13-9(17-12(4,5)6)15-10(14-8)18-7/h1-7H3,(H2,13,14,15,16,17)
InChIKeyVONUTDHPPXOPTC-UHFFFAOYSA-N
XLogP3.01
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-ditert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-ditert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine (CID 15925951) is 2-N,4-N-ditert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-ditert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-ditert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is CSc1nc(NC(C)(C)C)nc(NC(C)(C)C)n1.
What is the InChIKey of 2-N,4-N-ditert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is VONUTDHPPXOPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-11(2,3)16-8-13-9(17-12(4,5)6)15-10(14-8)18-7/h1-7H3,(H2,13,14,15,16,17).
What are the key properties of 2-N,4-N-ditert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N,4-N-ditert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 269.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-ditert-butyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15925951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).